3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 3-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 3-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 3-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbonyl]-N-(2-thenyl)benzenesulfonamide Formula: C25H30N3O4S2+ MolecularWeight: 500.6534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

InChI

InChI=1S/C25H29N3O4S2/c1-19-8-9-24(32-2)21(15-19)18-27-10-12-28(13-11-27)25(29)20-5-3-7-23(16-20)34(30,31)26-17-22-6-4-14-33-22/h3-9,14-16,26H,10-13,17-18H2,1-2H3/p+1